SCHEMBL210629

SCHEMBL210629

CCCCCCCCCCCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.71
SIGMAR1 Q99720 6/20 0.62
ESR1 P03372 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
TACR2 P21452 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
HTR2A P28223 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
SHBG P04278 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
HSPD1 P10809 1/20 0.61
ADRB3 P13945 1/20 0.61
HTR2C P28335 1/20 0.61
HSPE1 P61604 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8678547 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL10995503 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL133045 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL57721 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL7204684 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
Decane SCHEMBL8740719 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL175633 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL4465463 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL8678238 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3
SCHEMBL11231313 1.00 KCNH2 (0.71) KCNH2SIGMAR1ESR1ADRA2AADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192736-A Polyurethane adhesive for pavement and polyurethane mixture containing same 万华化学集团股份有限公司 2025-06-24 CN claimed
CN-116023218-B Method and system for separating anthracene alkylation reaction product 中国石油化工股份有限公司 2025-06-10 CN claimed
CN-119125413-A Method for rapidly identifying grass carp variety and muscle characteristic flavor substances based on GC×GC-TOFMS technology 湖南师范大学 2024-12-13 CN claimed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
CN-114436804-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-11-12 CN claimed
CN-114436798-B Alkylanthraquinone composition and method for preparing same 中国石油化工股份有限公司 2024-09-20 CN claimed
CN-118350226-A Method for determining gas diffusion coefficient and simulation method for evaluating gas diffusion characteristic 中国南方电网有限责任公司超高压输电公司电力科研院 2024-07-16 CN claimed
CN-114436733-B Alkylanthracene composition and preparation method thereof 中国石油化工股份有限公司 2024-06-11 CN claimed
CN-114436796-B Preparation method of 2-alkylanthraquinone 中国石油化工股份有限公司 2024-05-17 CN claimed
US-20120171397-A1 Keto Acid Esters As PVC Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2012-07-05 US claimed
CN-102548985-A Substituted carbonyl compounds UBE INDUSTRIES 2012-07-04 CN claimed
WO-2011011137-A1 PROCESS FOR THE PREPARATION OF KETO ACID ESTERS USEFUL AS PVC PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-27 WO claimed
EP-1849812-B1 Linked arylamine polymers and electronic devices generated therefrom XEROX CORP (US) 2010-09-01 EP claimed
US-20090322669-A1 Novel Systems, Methods and Compositions Relating to Display Elements Zikon Inc. 2009-12-31 US claimed
WO-2009129112-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS RELATING TO DISPLAY ELEMENTS ZIKON, INC. (US) 2009-10-22 WO claimed
EP-0002598-B1 PROCESS FOR THE PURIFICATION OF ALKANE DICARBOXYLIC ACIDS HAVING AT LEAST 4 CARBON ATOMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-22 EP claimed
US-4191616-A DISTILLATION OF DICARBOXYLIC ACIDS WITH ALKYLBENZENE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-03-04 US claimed
EP-0002598-A1 Process for the purification of alkane dicarboxylic acids having at least 4 carbon atoms IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-27 EP claimed
US-3987075-A ALKYL BENZENE SOLVENT OLIN CORPORATION (US) 1976-10-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120171397-A1 Keto Acid Esters As PVC Plasticizers KDM7A, FFAR2, KDM4A KCNH2 549/4885SIGMAR1 3858/4885ESR1 704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.